3-Methyl-1-Propyl-7H-Purine-2,6-Dione
[CAS# 72117-78-3]

Identification

• Name: 3-Methyl-1-Propyl-7H-Purine-2,6-Dione
• Synonyms: 3-Methyl-1-Propyl-7H-Purine-2,6-Quinone; 1-Mpx; 1-Methyl-3-Propylxanthine
• Molecular Formula: C₉H₁₂N₄O₂
• Molecular Weight: 208.22
• CAS Registry Number: 72117-78-3
• SMILES: C1=NC2=C([NH]1)C(N(CCC)C(=O)N2C)=O
• InChI: 1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
• InChIKey: UEGOAAXVUJWIHJ-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 450.732°C at 760 mmHg (Cal.)
• Flash point: 226.395°C (Cal.)